3DCY

Crystal Structure a TP53-induced glycolysis and apoptosis regulator protein from Homo sapiens.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97942
Spacegroup name	P 21 21 21
Unit cell lengths	40.983, 76.408, 79.536
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.748
R-factor	0.182
Rwork	0.180
R-free	0.22900
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.479
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.748	3.770	1.750
Rmerge	0.109	0.068	0.540
Number of reflections	25927
<I/σ(I)>	16.223		2.369
Completeness [%]	99.8	99.9	98.4
Redundancy	13.9	13.8	9.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	297	PROTEIN SOLUTION (10 MG/ML SEMET PROTEIN, 0.050 M NACL, 0.0003 M TCEP, 0.005 M MES PH 6.0) MIXED IN A 1:1 RATIO WITH WELL SOLUTION (20% PEG 3350, 0.10 M MES PH 6.0) CRYOPROTECTED WITH 20% ETHYLENE GLYCOL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 297K